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Added putting secondary-structure information to the pdbfiles generated by xdrf2pdb...
[unres.git] / source /
2015-07-18 Adam LiwoAdded putting secondary-structure information to the... tree | commitdiff
2015-07-17 Adam LiwoMerge branch 'homology' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2015-07-17 Adam LiwoAdded Makefiles tree | commitdiff
2015-07-17 Cezary Czaplewski the first version of READ2SIGMA - the same domains... tree | commitdiff
2015-07-09 Adam LiwoFixed the "***" issue in PDB output format by shifting... tree | commitdiff
2015-06-28 Adam LiwoFixes to compile WHAM and CLUSTER on AIX (nostromo... tree | commitdiff
2015-06-17 Adam LiwoAdded ifdefs to include/exlucde DFA becuase of the... tree | commitdiff
2015-06-12 Adam LiwoFixed the homology gradient in finegrain mode tree | commitdiff
2015-06-07 Adam LiwoAdded an option to compile unres, wham, and cluster... tree | commitdiff
2015-06-07 Adam LiwoFixes made in connection to Hamiltonian replica exchang... tree | commitdiff
2015-05-28 Adam LiwoFixed main module of WHAM tree | commitdiff
2015-05-14 Adam LiwoFixed the following components: tree | commitdiff
2015-05-13 Adam LiwoFixed a MAJOR error in WHAM; energies were computed... tree | commitdiff
2015-05-07 Cezary Czaplewskicmake compilation for cluster and wham repaired tree | commitdiff
2015-05-06 Cezary Czaplewskiminimization in int works with FGPROCS>1 tree | commitdiff
2015-04-16 Felipe PinedaMerge branch 'homology' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2015-04-16 Felipe PinedaWHAM and CLUSTER with HM restraints by AL and FP tree | commitdiff
2015-03-17 Cezary Czaplewskiremd with homol_nset>1 working with FG parallelization tree | commitdiff
2015-03-13 Cezary Czaplewskichanges to avoid PMPI_Scatterv: Invalid buffer pointer... tree | commitdiff
2015-03-06 Felipe PinedaLorentzian-type distance restraint energy implemented tree | commitdiff
2015-03-04 Felipe Pinedacommon.control cleaning tree | commitdiff
2015-03-04 Felipe PinedaMerge branch 'homology' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2015-03-04 Felipe PinedaAfter final fix by AL tree | commitdiff
2015-03-03 Cezary CzaplewskiREMD with HOMOL_NSET>1 and single weight for all homolo... tree | commitdiff
2015-02-25 Felipe PinedaMerge branch 'homology' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2015-02-25 Felipe PinedaMerge branch 'master' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2015-02-25 Cezary Czaplewskirespa now working without dfa weights tree | commitdiff
2015-02-20 Felipe PinedaMerge branch 'homology' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2015-02-19 Adam SieradzanEBE change in prerealese-3.2.1 make dummy atom idependent tree | commitdiff
2015-02-16 Adam Sieradzanpoprawka w src_MD tree | commitdiff
2015-02-16 Adam SieradzanPoprawiony src_MD-M gradient tree | commitdiff
2015-02-12 Felipe Pineda1st running version of UNRES HM by FP and AL tree | commitdiff
2015-02-11 Adam SieradzanMerge branch 'prerelease-3.2.1' of mmka:unres into... tree | commitdiff
2015-02-11 Adam Sieradzanrozgrzebana minimalizacja tree | commitdiff
2015-02-11 Adam Sieradzanintro of SCCOR into src_MIN tree | commitdiff
2015-01-24 Adam LiwoCorrected refsys.f in src_MD-M tree | commitdiff
2015-01-23 Adam Liworefsys tree | commitdiff
2015-01-23 Adam LiwoMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda... tree | commitdiff
2015-01-23 Adam LiwoCorrected refsys.f in src_MD-M tree | commitdiff
2015-01-22 Adam SieradzanMerge branch 'prerelease-3.2.1' of mmka:unres into... tree | commitdiff
2015-01-19 Adam Sieradzandzialajacy wham+poprawka w funckji energi+ poprawka... tree | commitdiff
2015-01-08 Cezary Czaplewskidfa.F was missing form cmake configurations files tree | commitdiff
2015-01-08 Cezary CzaplewskiMakefiles for mpich2 and some corrections to Makefiles tree | commitdiff
2015-01-05 Adam LiwoMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda... tree | commitdiff
2015-01-05 Adam LiwoAdded cinfo tree | commitdiff
2015-01-05 Adam LiwoMREMD corrected; Langevin mode (bcast instead of scatte... tree | commitdiff
2015-01-04 Adam Sieradzanpoprawka gradientu w CSA tree | commitdiff
2015-01-04 Adam SieradzanNaprawienie wham'a oraz wprowadzenie SCcorr do CSA tree | commitdiff
2014-12-30 Adam Sieradzanwprowadzenie do multichaina SCcorr tree | commitdiff
2014-12-19 Adam Sieradzandebug w poszukiwaniu bledu w ostatniej reszcie tree | commitdiff
2014-12-18 Adam Kazimierz Sie... dodanie czytania wagi wsccor do clustrowania-M tree | commitdiff
2014-12-18 Adam Kazimierz Sie... Wstawnieni SCCOR dla clustrowania. Nie wiadomo czy... tree | commitdiff
2014-12-18 Adam Kazimierz Sie... Wprowadzenie SCCOR dla wham-M tree | commitdiff
2014-12-18 Adam Kazimierz Sie... Rozgrzebany SCCOR dla wham-M tree | commitdiff
2014-12-17 Adam Kazimierz Sie... Poprawiony SCR_MD-M i dzialajacy tree | commitdiff
2014-12-17 Adam Kazimierz Sie... Wprowadznie potencjalow SC-COR do multichain oraz ich... tree | commitdiff
2014-12-11 Adam LiwoUpdated changelog, added minimization-only version... tree | commitdiff
2014-12-11 Adam LiwoCreated binaries and fixed bugs when compiling single... tree | commitdiff
2014-12-05 Cezary Czaplewskinew options for mpich2 with gfortran Makefile tree | commitdiff
2014-12-05 Cezary Czaplewskisrc_CSA_DiL removed from prerelease, current version... tree | commitdiff
2014-11-28 Cezary Czaplewskitesting 2D replica exchange with FPROCS>1 tree | commitdiff
2014-11-28 Dawid Jagielachanged FF preprocesor flags in src_CSA_DiL/CMakeLists.txt tree | commitdiff
2014-11-28 Dawid Jagielafixed FF preprocesor flags for src_CSA/CMakeLists.txt tree | commitdiff
2014-11-28 Dawid Jagielachanged csa.f to csa.F in src_CSA/CMakeLists.txt sources tree | commitdiff
2014-11-28 Adam LiwoTrying to bring files - continued tree | commitdiff
2014-11-27 Adam LiwoFixed Makefiles, handle all force fields thru appropria... tree | commitdiff
2014-11-09 Cezary Czaplewskirestart is now working with HOMOL_NSET tree | commitdiff
2014-11-07 Cezary Czaplewskiuntrack *.exe in git tree | commitdiff
2014-11-07 Cezary Czaplewskisome corrections to 2D replica exchange with homology tree | commitdiff
2014-11-07 Cezary Czaplewski2D replica exchange with homology constraints tree | commitdiff
2014-11-05 Dawid Jagielactest ala10 binary location fix tree | commitdiff
2014-10-27 Dawid Jagiela1) binaries are compiled into /bin subdirectory of... tree | commitdiff
2014-10-26 Dawid Jagiela1) Threading cleanup in src_CSA & src_CSA_DiL tree | commitdiff
2014-10-26 Dawid Jagielaswitched to CMake FindMPI module in all source files... tree | commitdiff
2014-10-26 Dawid Jagielaadded missing preprocessor flags for prng_32.F tree | commitdiff
2014-10-25 Dawid Jagielaprng.f unification tree | commitdiff
2014-10-17 Felipe PinedaAdam's homology version of unres with new readpdb.F... tree | commitdiff
2014-10-16 Dawid Jagiela64-bit fix for unres/CSA and unres/CSA_DiL code tree | commitdiff
2014-10-14 Dawid JagiełaMerge branch 'prerelease-3.2.1' of mmka:unres into... tree | commitdiff
2014-10-14 Dawid Jagiełafixed CMake variable typo tree | commitdiff
2014-10-08 Cezary Czaplewskicorrect default option for compilers in cluster CmakeLi... tree | commitdiff
2014-10-08 Cezary Czaplewskicorrect default option for compilers in wham CmakeList.txt tree | commitdiff
2013-11-05 Adam SieradzanDebug part 1 tree | commitdiff
2013-10-07 Adam Sieradzansmall correctian in wham tree | commitdiff
2013-09-02 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' of mmka:unres into... tree | commitdiff
2013-09-02 Cezary Czaplewskidynamic disulfides in multichain tree | commitdiff
2013-08-31 Adam Kazimierz Sie... wylaczenie diagnostyki tree | commitdiff
2013-08-31 Adam Kazimierz Sie... Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda... tree | commitdiff
2013-08-31 Adam Kazimierz Sie... zmiany w prereleasie drobne tree | commitdiff
2013-08-12 Adam Sieradzanchanges for DIMENSION for smaller size MEMory tree | commitdiff
2013-08-08 Adam SieradzanMerge branch 'prerelease-3.2.1' of mmka:unres into... tree | commitdiff
2013-08-07 Cezary Czaplewskidecrease of Max_Parm to 32 necessary for 4GB machine tree | commitdiff
2013-08-07 Adam Sieradzanmerge... tree | commitdiff
2013-08-07 Adam Sieradzanusuniecie diagnostyki tree | commitdiff
2013-07-25 Dawid Jagielafixed WHAM for gfortran: src/energy_p_new.F tree | commitdiff
2013-06-28 Adam Kazimierz Sie... Just few comments added to WHAM to clarify tree | commitdiff
2013-06-28 Adam Kazimierz Sie... Bugfix for SS wham and introduction SS to cluster analysis tree | commitdiff
2013-06-25 Adam Kazimierz Sie... Dodanie dynamic disulfide to WHAM tree | commitdiff
2013-05-07 Cezary Czaplewskisome corrections in xdrf2pdb-m for dyn_ss tree | commitdiff
2013-04-30 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' of mmka:unres into... tree | commitdiff
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UNRESPACK 3.x